[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine

C13H17F3N2 — CID 83825688

IUPAC[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine
SMILESCN1CCC(CN)(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H17F3N2/c1-18-7-6-12(8-17,9-18)10-2-4-11(5-3-10)13(14,15)16/h2-5H,6-9,17H2,1H3
InChIKeyKSTJXXLROWVBLJ-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.24
Rot. Bonds2

About [1-methyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine

[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine (PubChem CID 83825688) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is [1-methyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine
PubChem CID83825688
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine
SMILESCN1CCC(CN)(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H17F3N2/c1-18-7-6-12(8-17,9-18)10-2-4-11(5-3-10)13(14,15)16/h2-5H,6-9,17H2,1H3
InChIKeyKSTJXXLROWVBLJ-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-methyl-3-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine
CID 83819952
3-(aminomethyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 115050777
[1-(4-tert-butylphenyl)cyclobutyl]methanamine
CID 43378542
ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 145295879
[4-[4-(trifluoromethyl)phenyl]-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol
CID 18520141
[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 83412581
1-(3-methylimidazol-4-yl)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]methanamine
CID 99823062
azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene
CID 66801661
(3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-3-phenylazepane
CID 71583096
2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 79834999
[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine
CID 117464200
1-[1-(methylsulfanyloxymethyl)cyclopentyl]-4-(trifluoromethyl)benzene
CID 123439070

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-methyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine (CID 83825688) is [1-methyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-methyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-methyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine is CN1CCC(CN)(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of [1-methyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine?
The InChIKey is KSTJXXLROWVBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-18-7-6-12(8-17,9-18)10-2-4-11(5-3-10)13(14,15)16/h2-5H,6-9,17H2,1H3.
What are the key properties of [1-methyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine?
[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine has a molecular weight of 258.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 83825688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).